CID 9666539

4-(2-(2-((1,1'-biphenyl)-4-yloxy)propanoyl)carbohydrazonoyl)ph 3-bromobenzoate

Structural Information

Molecular Formula
C29H23BrN2O4
SMILES
CC(C(=O)N/N=C/C1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)Br)OC3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C29H23BrN2O4/c1-20(35-26-16-12-23(13-17-26)22-6-3-2-4-7-22)28(33)32-31-19-21-10-14-27(15-11-21)36-29(34)24-8-5-9-25(30)18-24/h2-20H,1H3,(H,32,33)/b31-19+
InChIKey
RQXBBEIWOLRKJD-ZCTHSVRISA-N
Compound name
[4-[(E)-[2-(4-phenylphenoxy)propanoylhydrazinylidene]methyl]phenyl] 3-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

542.0841 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.09138 216.1
[M+Na]+ 565.07332 220.9
[M+NH4]+ 560.11792 218.7
[M+K]+ 581.04726 218.4
[M-H]- 541.07682 222.5
[M+Na-2H]- 563.05877 223.6
[M]+ 542.08355 217.5
[M]- 542.08465 217.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.